1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid

C11H20N2O3 — CID 106978795

IUPAC1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(C)C(N)=O
InChIInChI=1S/C11H20N2O3/c1-3-5-11(10(15)16)6-4-7-13(11)8(2)9(12)14/h8H,3-7H2,1-2H3,(H2,12,14)(H,15,16)
InChIKeyWJGYXEPBAGTHBR-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.58
Rot. Bonds5

About 1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid

1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978795) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978795
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(C)C(N)=O
InChIInChI=1S/C11H20N2O3/c1-3-5-11(10(15)16)6-4-7-13(11)8(2)9(12)14/h8H,3-7H2,1-2H3,(H2,12,14)(H,15,16)
InChIKeyWJGYXEPBAGTHBR-UHFFFAOYSA-N
XLogP0.58
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978794
1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978796
1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978854
1-(2-amino-2-oxoethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978992
1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide
CID 175079605
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
(2R)-1-(2-methylpropanoyl)-2-propylpyrrolidine-2-carboxamide
CID 158485166
1-(2-methylpropylsulfonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977418
1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976097
1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976004
1-cyclopentyl-2-propylpyrrolidine-2-carboxylic acid
CID 106978679
1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979306

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid (CID 106978795) is 1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(C)C(N)=O.
What is the InChIKey of 1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is WJGYXEPBAGTHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-5-11(10(15)16)6-4-7-13(11)8(2)9(12)14/h8H,3-7H2,1-2H3,(H2,12,14)(H,15,16).
What are the key properties of 1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid?
1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).